| SpectraBase Compound ID | 61pInB8wWFU |
|---|---|
| InChI | InChI=1S/C8H6Cl2O2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2H2 |
| InChIKey | MSRYWCWCCLEHDI-UHFFFAOYSA-N |
| Mol Weight | 205.04 g/mol |
| Molecular Formula | C8H6Cl2O2 |
| Exact Mass | 203.974485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ONR7PWLVYJ |
|---|---|
| Name | 6,7-Dichloro-1,4-benzodioxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.974484831 u |
| Formula | C8H6Cl2O2 |
| InChI | InChI=1S/C8H6Cl2O2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2H2 |
| InChIKey | MSRYWCWCCLEHDI-UHFFFAOYSA-N |
| Molecular Weight | 205.040 g/mol |
| SMILES | C1=C2C(OCCO2)=CC(=C1Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908253 |